Geometry & MOs

Info

ID:	201692
PubChem CID:	79569322
Reduced:	NC8H17 (2)
Stoich.:	AB8C17 (2)
Weight, g/mol:	257.141579
ΔH_f, kcal/mol:	-52.6
Dipole, Da:	2.68
IP(EA), eV:	-8.49(2.82)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[2-(2-oxocyclopentyl)ethyl]-3,4-dihydroisoquinolin-1-one

Drug info:

PubChemData

Smile

CCCNC1CCCC1CCN(CC)CC(C)C

DOS

IR

Vibrations